4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C23H22N4O4S — CID 31153670

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 31153670) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 31153670
• Molecular Formula: C23H22N4O4S
• Molecular Weight: 450.52 g/mol
• Exact Mass: 450.14
• IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
• SMILES: COc1cc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)ccc1OCc1c(C)noc1C
• InChI: InChI=1S/C23H22N4O4S/c1-13-17(15(3)31-27-13)12-30-19-9-8-16(11-20(19)29-4)22(28)26-23-25-14(2)21(32-23)18-7-5-6-10-24-18/h5-11H,12H2,1-4H3,(H,25,26,28)
• InChIKey: GATPPDOQXPJQSB-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 99.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.52
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 31153670) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)ccc1OCc1c(C)noc1C.

What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?

The InChIKey is GATPPDOQXPJQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-13-17(15(3)31-27-13)12-30-19-9-8-16(11-20(19)29-4)22(28)26-23-25-14(2)21(32-23)18-7-5-6-10-24-18/h5-11H,12H2,1-4H3,(H,25,26,28).

What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 450.52 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 31153670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).